USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 MET CE :methyl 143:sc= -3.58 (180deg=-3.4!) USER MOD Set 1.2: A 61 MET CE :methyl -124:sc= -6.87! (180deg=-10.3!) USER MOD Set 2.1: A 23 GLN : amide:sc= -0.41 K(o=-0.39,f=-1.8!) USER MOD Set 2.2: A 88 LYS NZ :NH3+ -150:sc= 0.0212 (180deg=0) USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= -1.59! USER MOD Set 3.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.00653 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0217 K(o=-0.022,f=-1.2!) USER MOD Single : A 21 ASN : amide:sc= -1.21 K(o=-1.2,f=-5.7!) USER MOD Single : A 24 SER OG : rot -60:sc= 0.21 USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.893 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 96:sc= 1.03 USER MOD Single : A 43 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.013) USER MOD Single : A 44 THR OG1 : rot 130:sc= 1.12 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0525 USER MOD Single : A 50 THR OG1 : rot 53:sc= 0.633 USER MOD Single : A 57 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.8!) USER MOD Single : A 58 GLN : amide:sc=-0.00736 X(o=-0.0074,f=-0.37) USER MOD Single : A 60 GLN : amide:sc= -1.43! K(o=-1.4!,f=0.92) USER MOD Single : A 68 SER OG : rot 180:sc= -0.38 USER MOD Single : A 69 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.24) USER MOD Single : A 70 SER OG : rot 180:sc= -0.348 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -144:sc= -2.25 (180deg=-5.17!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.733 20.060 -26.511 1.00 0.00 N ATOM 2 CA GLY A 1 -4.164 20.426 -25.225 1.00 0.00 C ATOM 3 C GLY A 1 -4.572 19.428 -24.140 1.00 0.00 C ATOM 4 O GLY A 1 -4.551 18.219 -24.365 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.005 20.143 -27.249 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.077 19.079 -26.472 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.525 20.696 -26.734 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.077 20.461 -25.301 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.497 21.426 -24.948 1.00 0.00 H new ATOM 8 N SER A 2 -4.935 19.971 -22.987 1.00 0.00 N ATOM 9 CA SER A 2 -5.347 19.143 -21.867 1.00 0.00 C ATOM 10 C SER A 2 -6.702 19.617 -21.337 1.00 0.00 C ATOM 11 O SER A 2 -6.767 20.329 -20.336 1.00 0.00 O ATOM 12 CB SER A 2 -4.302 19.167 -20.750 1.00 0.00 C ATOM 13 OG SER A 2 -3.852 17.859 -20.412 1.00 0.00 O ATOM 0 H SER A 2 -4.952 20.974 -22.805 1.00 0.00 H new ATOM 0 HA SER A 2 -5.440 18.115 -22.218 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.452 19.773 -21.062 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.727 19.644 -19.867 1.00 0.00 H new ATOM 0 HG SER A 2 -3.185 17.917 -19.697 1.00 0.00 H new ATOM 19 N SER A 3 -7.751 19.202 -22.032 1.00 0.00 N ATOM 20 CA SER A 3 -9.101 19.576 -21.644 1.00 0.00 C ATOM 21 C SER A 3 -9.602 18.648 -20.536 1.00 0.00 C ATOM 22 O SER A 3 -9.916 19.101 -19.436 1.00 0.00 O ATOM 23 CB SER A 3 -10.051 19.533 -22.843 1.00 0.00 C ATOM 24 OG SER A 3 -10.114 20.785 -23.519 1.00 0.00 O ATOM 0 H SER A 3 -7.694 18.611 -22.861 1.00 0.00 H new ATOM 0 HA SER A 3 -9.079 20.600 -21.270 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.722 18.761 -23.539 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.049 19.253 -22.505 1.00 0.00 H new ATOM 0 HG SER A 3 -10.729 20.716 -24.279 1.00 0.00 H new ATOM 30 N GLY A 4 -9.662 17.365 -20.864 1.00 0.00 N ATOM 31 CA GLY A 4 -10.120 16.369 -19.910 1.00 0.00 C ATOM 32 C GLY A 4 -9.368 16.494 -18.583 1.00 0.00 C ATOM 33 O GLY A 4 -9.978 16.723 -17.540 1.00 0.00 O ATOM 0 H GLY A 4 -9.401 16.993 -21.777 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.190 16.489 -19.739 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.974 15.371 -20.322 1.00 0.00 H new ATOM 37 N SER A 5 -8.055 16.339 -18.667 1.00 0.00 N ATOM 38 CA SER A 5 -7.214 16.431 -17.486 1.00 0.00 C ATOM 39 C SER A 5 -7.618 17.647 -16.650 1.00 0.00 C ATOM 40 O SER A 5 -7.965 17.510 -15.477 1.00 0.00 O ATOM 41 CB SER A 5 -5.735 16.519 -17.869 1.00 0.00 C ATOM 42 OG SER A 5 -4.977 15.443 -17.322 1.00 0.00 O ATOM 0 H SER A 5 -7.553 16.150 -19.535 1.00 0.00 H new ATOM 0 HA SER A 5 -7.356 15.527 -16.894 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.641 16.514 -18.955 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.325 17.466 -17.518 1.00 0.00 H new ATOM 0 HG SER A 5 -4.039 15.534 -17.590 1.00 0.00 H new ATOM 48 N SER A 6 -7.560 18.808 -17.284 1.00 0.00 N ATOM 49 CA SER A 6 -7.916 20.047 -16.613 1.00 0.00 C ATOM 50 C SER A 6 -9.212 19.859 -15.821 1.00 0.00 C ATOM 51 O SER A 6 -9.234 20.051 -14.607 1.00 0.00 O ATOM 52 CB SER A 6 -8.067 21.192 -17.616 1.00 0.00 C ATOM 53 OG SER A 6 -6.919 22.036 -17.640 1.00 0.00 O ATOM 0 H SER A 6 -7.272 18.918 -18.256 1.00 0.00 H new ATOM 0 HA SER A 6 -7.112 20.307 -15.925 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.236 20.782 -18.612 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.946 21.783 -17.361 1.00 0.00 H new ATOM 0 HG SER A 6 -7.054 22.753 -18.294 1.00 0.00 H new ATOM 59 N GLY A 7 -10.259 19.487 -16.542 1.00 0.00 N ATOM 60 CA GLY A 7 -11.556 19.271 -15.922 1.00 0.00 C ATOM 61 C GLY A 7 -11.452 18.272 -14.768 1.00 0.00 C ATOM 62 O GLY A 7 -11.797 18.593 -13.632 1.00 0.00 O ATOM 0 H GLY A 7 -10.236 19.330 -17.550 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.949 20.218 -15.553 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.262 18.901 -16.666 1.00 0.00 H new ATOM 66 N SER A 8 -10.975 17.081 -15.100 1.00 0.00 N ATOM 67 CA SER A 8 -10.822 16.033 -14.105 1.00 0.00 C ATOM 68 C SER A 8 -12.178 15.708 -13.474 1.00 0.00 C ATOM 69 O SER A 8 -12.470 16.148 -12.363 1.00 0.00 O ATOM 70 CB SER A 8 -9.818 16.441 -13.025 1.00 0.00 C ATOM 71 OG SER A 8 -8.890 15.398 -12.737 1.00 0.00 O ATOM 0 H SER A 8 -10.690 16.819 -16.043 1.00 0.00 H new ATOM 0 HA SER A 8 -10.437 15.143 -14.603 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.276 17.329 -13.351 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.354 16.711 -12.115 1.00 0.00 H new ATOM 0 HG SER A 8 -8.265 15.698 -12.044 1.00 0.00 H new ATOM 77 N SER A 9 -12.968 14.941 -14.210 1.00 0.00 N ATOM 78 CA SER A 9 -14.286 14.552 -13.736 1.00 0.00 C ATOM 79 C SER A 9 -14.179 13.937 -12.339 1.00 0.00 C ATOM 80 O SER A 9 -14.762 14.449 -11.385 1.00 0.00 O ATOM 81 CB SER A 9 -14.950 13.567 -14.701 1.00 0.00 C ATOM 82 OG SER A 9 -16.371 13.652 -14.655 1.00 0.00 O ATOM 0 H SER A 9 -12.721 14.578 -15.131 1.00 0.00 H new ATOM 0 HA SER A 9 -14.909 15.445 -13.686 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.607 13.767 -15.716 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.639 12.552 -14.454 1.00 0.00 H new ATOM 0 HG SER A 9 -16.758 13.009 -15.286 1.00 0.00 H new ATOM 88 N PHE A 10 -13.430 12.847 -12.263 1.00 0.00 N ATOM 89 CA PHE A 10 -13.239 12.156 -10.999 1.00 0.00 C ATOM 90 C PHE A 10 -12.544 13.061 -9.980 1.00 0.00 C ATOM 91 O PHE A 10 -11.460 13.580 -10.243 1.00 0.00 O ATOM 92 CB PHE A 10 -12.348 10.945 -11.281 1.00 0.00 C ATOM 93 CG PHE A 10 -13.112 9.626 -11.411 1.00 0.00 C ATOM 94 CD1 PHE A 10 -13.575 8.996 -10.298 1.00 0.00 C ATOM 95 CD2 PHE A 10 -13.328 9.084 -12.639 1.00 0.00 C ATOM 96 CE1 PHE A 10 -14.284 7.772 -10.418 1.00 0.00 C ATOM 97 CE2 PHE A 10 -14.038 7.859 -12.759 1.00 0.00 C ATOM 98 CZ PHE A 10 -14.501 7.229 -11.646 1.00 0.00 C ATOM 0 H PHE A 10 -12.948 12.425 -13.057 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.204 11.862 -10.585 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -11.792 11.123 -12.201 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -11.616 10.851 -10.479 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -13.403 9.427 -9.323 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -12.960 9.584 -13.523 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -14.651 7.272 -9.534 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -14.210 7.428 -13.734 1.00 0.00 H new ATOM 0 HZ PHE A 10 -15.041 6.298 -11.737 1.00 0.00 H new ATOM 108 N GLN A 11 -13.196 13.221 -8.838 1.00 0.00 N ATOM 109 CA GLN A 11 -12.653 14.054 -7.778 1.00 0.00 C ATOM 110 C GLN A 11 -11.956 13.188 -6.726 1.00 0.00 C ATOM 111 O GLN A 11 -12.477 12.146 -6.331 1.00 0.00 O ATOM 112 CB GLN A 11 -13.747 14.914 -7.142 1.00 0.00 C ATOM 113 CG GLN A 11 -13.710 16.342 -7.690 1.00 0.00 C ATOM 114 CD GLN A 11 -14.556 17.282 -6.828 1.00 0.00 C ATOM 115 OE1 GLN A 11 -14.702 17.105 -5.630 1.00 0.00 O ATOM 116 NE2 GLN A 11 -15.104 18.288 -7.504 1.00 0.00 N ATOM 0 H GLN A 11 -14.094 12.789 -8.623 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.914 14.727 -8.214 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.723 14.471 -7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -13.617 14.932 -6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.680 16.698 -7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.080 16.352 -8.715 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.941 18.377 -8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.687 18.970 -7.019 1.00 0.00 H new ATOM 125 N GLY A 12 -10.790 13.651 -6.303 1.00 0.00 N ATOM 126 CA GLY A 12 -10.016 12.932 -5.305 1.00 0.00 C ATOM 127 C GLY A 12 -10.024 13.673 -3.967 1.00 0.00 C ATOM 128 O GLY A 12 -10.230 14.885 -3.925 1.00 0.00 O ATOM 0 H GLY A 12 -10.362 14.516 -6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.427 11.931 -5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.990 12.812 -5.652 1.00 0.00 H new ATOM 132 N PRO A 13 -9.790 12.894 -2.877 1.00 0.00 N ATOM 133 CA PRO A 13 -9.768 13.463 -1.540 1.00 0.00 C ATOM 134 C PRO A 13 -8.477 14.247 -1.299 1.00 0.00 C ATOM 135 O PRO A 13 -7.464 13.998 -1.953 1.00 0.00 O ATOM 136 CB PRO A 13 -9.926 12.276 -0.604 1.00 0.00 C ATOM 137 CG PRO A 13 -9.564 11.048 -1.424 1.00 0.00 C ATOM 138 CD PRO A 13 -9.542 11.455 -2.888 1.00 0.00 C ATOM 0 HA PRO A 13 -10.565 14.189 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.273 12.373 0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.947 12.208 -0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.592 10.660 -1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.290 10.252 -1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.582 11.222 -3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.306 10.926 -3.458 1.00 0.00 H new ATOM 146 N LEU A 14 -8.554 15.178 -0.359 1.00 0.00 N ATOM 147 CA LEU A 14 -7.403 15.999 -0.024 1.00 0.00 C ATOM 148 C LEU A 14 -6.444 15.193 0.853 1.00 0.00 C ATOM 149 O LEU A 14 -5.233 15.214 0.637 1.00 0.00 O ATOM 150 CB LEU A 14 -7.853 17.318 0.608 1.00 0.00 C ATOM 151 CG LEU A 14 -8.758 18.201 -0.253 1.00 0.00 C ATOM 152 CD1 LEU A 14 -9.859 18.846 0.592 1.00 0.00 C ATOM 153 CD2 LEU A 14 -7.941 19.241 -1.021 1.00 0.00 C ATOM 0 H LEU A 14 -9.395 15.382 0.181 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.855 16.274 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.377 17.093 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.965 17.892 0.874 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.249 17.568 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.488 19.468 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.467 18.068 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.407 19.462 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.609 19.855 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.404 19.875 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.227 18.735 -1.671 1.00 0.00 H new ATOM 165 N ASP A 15 -7.021 14.500 1.824 1.00 0.00 N ATOM 166 CA ASP A 15 -6.232 13.688 2.734 1.00 0.00 C ATOM 167 C ASP A 15 -5.148 12.950 1.945 1.00 0.00 C ATOM 168 O ASP A 15 -3.958 13.146 2.185 1.00 0.00 O ATOM 169 CB ASP A 15 -7.102 12.641 3.434 1.00 0.00 C ATOM 170 CG ASP A 15 -7.309 12.870 4.932 1.00 0.00 C ATOM 171 OD1 ASP A 15 -7.321 14.055 5.329 1.00 0.00 O ATOM 172 OD2 ASP A 15 -7.450 11.854 5.647 1.00 0.00 O ATOM 0 H ASP A 15 -8.026 14.484 2.000 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.792 14.350 3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.077 12.616 2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.649 11.660 3.291 1.00 0.00 H new ATOM 177 N ALA A 16 -5.600 12.118 1.018 1.00 0.00 N ATOM 178 CA ALA A 16 -4.684 11.351 0.191 1.00 0.00 C ATOM 179 C ALA A 16 -4.266 10.084 0.941 1.00 0.00 C ATOM 180 O ALA A 16 -3.153 9.592 0.764 1.00 0.00 O ATOM 181 CB ALA A 16 -3.486 12.223 -0.191 1.00 0.00 C ATOM 0 H ALA A 16 -6.588 11.958 0.821 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.170 11.042 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.800 11.647 -0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.833 13.094 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.971 12.550 0.712 1.00 0.00 H new ATOM 187 N THR A 17 -5.182 9.592 1.763 1.00 0.00 N ATOM 188 CA THR A 17 -4.923 8.392 2.540 1.00 0.00 C ATOM 189 C THR A 17 -5.453 7.158 1.809 1.00 0.00 C ATOM 190 O THR A 17 -6.490 7.220 1.150 1.00 0.00 O ATOM 191 CB THR A 17 -5.536 8.587 3.928 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.844 9.713 4.459 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.186 7.448 4.888 1.00 0.00 C ATOM 0 H THR A 17 -6.104 10.003 1.908 1.00 0.00 H new ATOM 0 HA THR A 17 -3.853 8.223 2.662 1.00 0.00 H new ATOM 0 HB THR A 17 -6.619 8.666 3.838 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.181 9.910 5.358 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.646 7.636 5.858 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.559 6.506 4.486 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.104 7.390 5.004 1.00 0.00 H new ATOM 201 N VAL A 18 -4.718 6.065 1.949 1.00 0.00 N ATOM 202 CA VAL A 18 -5.102 4.817 1.310 1.00 0.00 C ATOM 203 C VAL A 18 -4.694 3.645 2.203 1.00 0.00 C ATOM 204 O VAL A 18 -3.684 3.715 2.903 1.00 0.00 O ATOM 205 CB VAL A 18 -4.495 4.740 -0.093 1.00 0.00 C ATOM 206 CG1 VAL A 18 -5.124 5.782 -1.020 1.00 0.00 C ATOM 207 CG2 VAL A 18 -2.974 4.898 -0.042 1.00 0.00 C ATOM 0 H VAL A 18 -3.858 6.017 2.496 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.184 4.768 1.185 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.715 3.753 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.675 5.706 -2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.197 5.604 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.949 6.780 -0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.568 4.839 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.723 5.865 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.546 4.102 0.568 1.00 0.00 H new ATOM 217 N VAL A 19 -5.498 2.594 2.151 1.00 0.00 N ATOM 218 CA VAL A 19 -5.234 1.407 2.947 1.00 0.00 C ATOM 219 C VAL A 19 -4.656 0.313 2.047 1.00 0.00 C ATOM 220 O VAL A 19 -5.151 0.087 0.943 1.00 0.00 O ATOM 221 CB VAL A 19 -6.506 0.972 3.676 1.00 0.00 C ATOM 222 CG1 VAL A 19 -6.201 -0.114 4.710 1.00 0.00 C ATOM 223 CG2 VAL A 19 -7.202 2.169 4.327 1.00 0.00 C ATOM 0 H VAL A 19 -6.334 2.539 1.569 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.492 1.620 3.716 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.187 0.550 2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.122 -0.405 5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.771 -0.982 4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.492 0.271 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.103 1.832 4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.529 2.634 5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.470 2.895 3.560 1.00 0.00 H new ATOM 233 N VAL A 20 -3.618 -0.337 2.551 1.00 0.00 N ATOM 234 CA VAL A 20 -2.968 -1.403 1.807 1.00 0.00 C ATOM 235 C VAL A 20 -3.242 -2.741 2.495 1.00 0.00 C ATOM 236 O VAL A 20 -3.153 -2.844 3.718 1.00 0.00 O ATOM 237 CB VAL A 20 -1.475 -1.101 1.658 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.702 -2.355 1.245 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.243 0.038 0.664 1.00 0.00 C ATOM 0 H VAL A 20 -3.210 -0.146 3.466 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.375 -1.468 0.798 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.099 -0.780 2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.356 -2.114 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.829 -3.127 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.082 -2.719 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.174 0.233 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.642 -0.243 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.748 0.937 1.017 1.00 0.00 H new ATOM 249 N ASN A 21 -3.571 -3.733 1.681 1.00 0.00 N ATOM 250 CA ASN A 21 -3.859 -5.060 2.196 1.00 0.00 C ATOM 251 C ASN A 21 -3.195 -6.106 1.299 1.00 0.00 C ATOM 252 O ASN A 21 -2.782 -5.799 0.181 1.00 0.00 O ATOM 253 CB ASN A 21 -5.364 -5.333 2.207 1.00 0.00 C ATOM 254 CG ASN A 21 -6.088 -4.378 3.158 1.00 0.00 C ATOM 255 OD1 ASN A 21 -6.125 -4.570 4.362 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.660 -3.341 2.553 1.00 0.00 N ATOM 0 H ASN A 21 -3.644 -3.644 0.668 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.476 -5.116 3.215 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.765 -5.222 1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.548 -6.363 2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.168 -2.647 3.102 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.591 -3.240 1.540 1.00 0.00 H new ATOM 263 N LEU A 22 -3.113 -7.322 1.820 1.00 0.00 N ATOM 264 CA LEU A 22 -2.507 -8.415 1.080 1.00 0.00 C ATOM 265 C LEU A 22 -3.606 -9.335 0.546 1.00 0.00 C ATOM 266 O LEU A 22 -4.678 -9.437 1.140 1.00 0.00 O ATOM 267 CB LEU A 22 -1.467 -9.134 1.942 1.00 0.00 C ATOM 268 CG LEU A 22 -0.227 -8.320 2.317 1.00 0.00 C ATOM 269 CD1 LEU A 22 0.811 -9.195 3.023 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.356 -7.614 1.091 1.00 0.00 C ATOM 0 H LEU A 22 -3.457 -7.574 2.747 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.962 -8.034 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.952 -9.464 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.143 -10.030 1.413 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.527 -7.545 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.682 -8.592 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.378 -9.611 3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.113 -10.007 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.236 -7.042 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.638 -8.356 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.390 -6.940 0.670 1.00 0.00 H new ATOM 282 N GLN A 23 -3.302 -9.982 -0.569 1.00 0.00 N ATOM 283 CA GLN A 23 -4.251 -10.891 -1.190 1.00 0.00 C ATOM 284 C GLN A 23 -4.074 -12.305 -0.633 1.00 0.00 C ATOM 285 O GLN A 23 -5.042 -13.054 -0.514 1.00 0.00 O ATOM 286 CB GLN A 23 -4.105 -10.879 -2.713 1.00 0.00 C ATOM 287 CG GLN A 23 -4.896 -9.724 -3.331 1.00 0.00 C ATOM 288 CD GLN A 23 -5.425 -10.101 -4.716 1.00 0.00 C ATOM 289 OE1 GLN A 23 -4.883 -9.719 -5.741 1.00 0.00 O ATOM 290 NE2 GLN A 23 -6.510 -10.869 -4.691 1.00 0.00 N ATOM 0 H GLN A 23 -2.412 -9.895 -1.059 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.259 -10.552 -0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.052 -10.787 -2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.457 -11.826 -3.123 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.729 -9.459 -2.679 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.259 -8.843 -3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.913 -11.153 -3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.939 -11.174 -5.565 1.00 0.00 H new ATOM 299 N SER A 24 -2.830 -12.627 -0.307 1.00 0.00 N ATOM 300 CA SER A 24 -2.514 -13.937 0.234 1.00 0.00 C ATOM 301 C SER A 24 -1.429 -13.813 1.305 1.00 0.00 C ATOM 302 O SER A 24 -0.310 -14.288 1.118 1.00 0.00 O ATOM 303 CB SER A 24 -2.063 -14.895 -0.870 1.00 0.00 C ATOM 304 OG SER A 24 -1.719 -16.179 -0.356 1.00 0.00 O ATOM 0 H SER A 24 -2.030 -12.003 -0.407 1.00 0.00 H new ATOM 0 HA SER A 24 -3.417 -14.347 0.686 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.860 -15.001 -1.606 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.204 -14.471 -1.390 1.00 0.00 H new ATOM 0 HG SER A 24 -0.987 -16.088 0.289 1.00 0.00 H new ATOM 310 N PRO A 25 -1.808 -13.156 2.434 1.00 0.00 N ATOM 311 CA PRO A 25 -0.880 -12.963 3.535 1.00 0.00 C ATOM 312 C PRO A 25 -0.680 -14.263 4.318 1.00 0.00 C ATOM 313 O PRO A 25 -1.103 -15.330 3.875 1.00 0.00 O ATOM 314 CB PRO A 25 -1.490 -11.852 4.374 1.00 0.00 C ATOM 315 CG PRO A 25 -2.955 -11.785 3.974 1.00 0.00 C ATOM 316 CD PRO A 25 -3.125 -12.580 2.690 1.00 0.00 C ATOM 0 HA PRO A 25 0.120 -12.687 3.199 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.385 -12.063 5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.990 -10.902 4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.585 -12.195 4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.263 -10.750 3.826 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.882 -13.356 2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.444 -11.940 1.867 1.00 0.00 H new ATOM 324 N THR A 26 -0.036 -14.131 5.468 1.00 0.00 N ATOM 325 CA THR A 26 0.225 -15.281 6.316 1.00 0.00 C ATOM 326 C THR A 26 -0.170 -14.977 7.763 1.00 0.00 C ATOM 327 O THR A 26 -0.829 -13.974 8.033 1.00 0.00 O ATOM 328 CB THR A 26 1.698 -15.663 6.155 1.00 0.00 C ATOM 329 OG1 THR A 26 2.373 -14.412 6.070 1.00 0.00 O ATOM 330 CG2 THR A 26 1.985 -16.335 4.811 1.00 0.00 C ATOM 0 H THR A 26 0.313 -13.245 5.832 1.00 0.00 H new ATOM 0 HA THR A 26 -0.381 -16.137 6.020 1.00 0.00 H new ATOM 0 HB THR A 26 1.990 -16.332 6.964 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.305 -14.561 5.808 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.044 -16.585 4.748 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.391 -17.245 4.725 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.725 -15.654 4.001 1.00 0.00 H new ATOM 338 N LEU A 27 0.250 -15.862 8.655 1.00 0.00 N ATOM 339 CA LEU A 27 -0.052 -15.702 10.067 1.00 0.00 C ATOM 340 C LEU A 27 0.728 -14.506 10.618 1.00 0.00 C ATOM 341 O LEU A 27 0.239 -13.789 11.489 1.00 0.00 O ATOM 342 CB LEU A 27 0.208 -17.006 10.823 1.00 0.00 C ATOM 343 CG LEU A 27 -0.925 -18.034 10.796 1.00 0.00 C ATOM 344 CD1 LEU A 27 -2.140 -17.531 11.577 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.285 -18.416 9.359 1.00 0.00 C ATOM 0 H LEU A 27 0.797 -16.692 8.427 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.111 -15.486 10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.103 -17.470 10.409 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.427 -16.763 11.863 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.576 -18.940 11.292 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.931 -18.280 11.542 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.857 -17.351 12.614 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.500 -16.603 11.132 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.093 -19.148 9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.607 -17.527 8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.412 -18.845 8.867 1.00 0.00 H new ATOM 357 N GLU A 28 1.929 -14.329 10.087 1.00 0.00 N ATOM 358 CA GLU A 28 2.782 -13.233 10.515 1.00 0.00 C ATOM 359 C GLU A 28 2.107 -11.891 10.223 1.00 0.00 C ATOM 360 O GLU A 28 2.239 -10.944 10.998 1.00 0.00 O ATOM 361 CB GLU A 28 4.155 -13.313 9.845 1.00 0.00 C ATOM 362 CG GLU A 28 4.021 -13.647 8.358 1.00 0.00 C ATOM 363 CD GLU A 28 5.074 -12.906 7.532 1.00 0.00 C ATOM 364 OE1 GLU A 28 5.209 -11.683 7.751 1.00 0.00 O ATOM 365 OE2 GLU A 28 5.721 -13.579 6.701 1.00 0.00 O ATOM 0 H GLU A 28 2.332 -14.926 9.364 1.00 0.00 H new ATOM 0 HA GLU A 28 2.934 -13.315 11.591 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.677 -12.363 9.962 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.761 -14.073 10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.129 -14.722 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.024 -13.377 8.009 1.00 0.00 H new ATOM 372 N GLU A 29 1.400 -11.851 9.104 1.00 0.00 N ATOM 373 CA GLU A 29 0.704 -10.641 8.700 1.00 0.00 C ATOM 374 C GLU A 29 -0.673 -10.574 9.363 1.00 0.00 C ATOM 375 O GLU A 29 -1.066 -9.531 9.884 1.00 0.00 O ATOM 376 CB GLU A 29 0.585 -10.558 7.177 1.00 0.00 C ATOM 377 CG GLU A 29 -0.181 -9.303 6.754 1.00 0.00 C ATOM 378 CD GLU A 29 -1.542 -9.666 6.158 1.00 0.00 C ATOM 379 OE1 GLU A 29 -2.219 -10.522 6.768 1.00 0.00 O ATOM 380 OE2 GLU A 29 -1.875 -9.080 5.105 1.00 0.00 O ATOM 0 H GLU A 29 1.294 -12.638 8.464 1.00 0.00 H new ATOM 0 HA GLU A 29 1.287 -9.782 9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.580 -10.549 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.075 -11.444 6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.320 -8.650 7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.403 -8.745 6.022 1.00 0.00 H new ATOM 387 N LYS A 30 -1.370 -11.701 9.321 1.00 0.00 N ATOM 388 CA LYS A 30 -2.695 -11.784 9.911 1.00 0.00 C ATOM 389 C LYS A 30 -2.665 -11.166 11.310 1.00 0.00 C ATOM 390 O LYS A 30 -3.689 -10.701 11.809 1.00 0.00 O ATOM 391 CB LYS A 30 -3.203 -13.226 9.886 1.00 0.00 C ATOM 392 CG LYS A 30 -3.951 -13.522 8.584 1.00 0.00 C ATOM 393 CD LYS A 30 -5.410 -13.889 8.862 1.00 0.00 C ATOM 394 CE LYS A 30 -6.187 -12.684 9.394 1.00 0.00 C ATOM 395 NZ LYS A 30 -7.323 -12.364 8.500 1.00 0.00 N ATOM 0 H LYS A 30 -1.041 -12.564 8.887 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.411 -11.209 9.324 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.363 -13.913 9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.864 -13.397 10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.910 -12.651 7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.461 -14.340 8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.878 -14.253 7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.452 -14.702 9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.555 -12.896 10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.524 -11.822 9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.840 -11.544 8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.965 -12.142 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.963 -13.182 8.446 1.00 0.00 H new ATOM 409 N ASN A 31 -1.481 -11.181 11.904 1.00 0.00 N ATOM 410 CA ASN A 31 -1.305 -10.628 13.236 1.00 0.00 C ATOM 411 C ASN A 31 -0.940 -9.146 13.124 1.00 0.00 C ATOM 412 O ASN A 31 -1.592 -8.296 13.728 1.00 0.00 O ATOM 413 CB ASN A 31 -0.173 -11.338 13.982 1.00 0.00 C ATOM 414 CG ASN A 31 -0.722 -12.188 15.129 1.00 0.00 C ATOM 415 OD1 ASN A 31 -0.972 -13.375 14.993 1.00 0.00 O ATOM 416 ND2 ASN A 31 -0.896 -11.518 16.265 1.00 0.00 N ATOM 0 H ASN A 31 -0.634 -11.567 11.487 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.238 -10.763 13.783 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.383 -11.970 13.290 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.528 -10.601 14.374 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.258 -11.997 17.089 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.667 -10.525 16.312 1.00 0.00 H new ATOM 423 N GLU A 32 0.101 -8.883 12.348 1.00 0.00 N ATOM 424 CA GLU A 32 0.560 -7.519 12.150 1.00 0.00 C ATOM 425 C GLU A 32 1.348 -7.409 10.843 1.00 0.00 C ATOM 426 O GLU A 32 2.293 -8.164 10.618 1.00 0.00 O ATOM 427 CB GLU A 32 1.400 -7.045 13.338 1.00 0.00 C ATOM 428 CG GLU A 32 0.517 -6.755 14.553 1.00 0.00 C ATOM 429 CD GLU A 32 1.304 -6.022 15.641 1.00 0.00 C ATOM 430 OE1 GLU A 32 1.548 -4.812 15.446 1.00 0.00 O ATOM 431 OE2 GLU A 32 1.644 -6.688 16.642 1.00 0.00 O ATOM 0 H GLU A 32 0.639 -9.591 11.849 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.312 -6.869 12.082 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.137 -7.806 13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.952 -6.146 13.062 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.339 -6.152 14.249 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.123 -7.690 14.952 1.00 0.00 H new ATOM 438 N PHE A 33 0.930 -6.462 10.015 1.00 0.00 N ATOM 439 CA PHE A 33 1.585 -6.244 8.736 1.00 0.00 C ATOM 440 C PHE A 33 3.099 -6.428 8.857 1.00 0.00 C ATOM 441 O PHE A 33 3.702 -6.014 9.846 1.00 0.00 O ATOM 442 CB PHE A 33 1.290 -4.800 8.324 1.00 0.00 C ATOM 443 CG PHE A 33 1.522 -4.518 6.838 1.00 0.00 C ATOM 444 CD1 PHE A 33 0.520 -4.724 5.942 1.00 0.00 C ATOM 445 CD2 PHE A 33 2.730 -4.060 6.413 1.00 0.00 C ATOM 446 CE1 PHE A 33 0.735 -4.462 4.563 1.00 0.00 C ATOM 447 CE2 PHE A 33 2.945 -3.798 5.035 1.00 0.00 C ATOM 448 CZ PHE A 33 1.943 -4.004 4.139 1.00 0.00 C ATOM 0 H PHE A 33 0.146 -5.837 10.205 1.00 0.00 H new ATOM 0 HA PHE A 33 1.217 -6.961 8.002 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.254 -4.567 8.570 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.916 -4.130 8.913 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.440 -5.087 6.279 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.526 -3.896 7.124 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.061 -4.626 3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.905 -3.435 4.698 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.107 -3.804 3.090 1.00 0.00 H new ATOM 458 N PRO A 34 3.685 -7.067 7.809 1.00 0.00 N ATOM 459 CA PRO A 34 5.117 -7.312 7.788 1.00 0.00 C ATOM 460 C PRO A 34 5.888 -6.027 7.481 1.00 0.00 C ATOM 461 O PRO A 34 5.521 -5.280 6.575 1.00 0.00 O ATOM 462 CB PRO A 34 5.317 -8.391 6.736 1.00 0.00 C ATOM 463 CG PRO A 34 4.058 -8.379 5.883 1.00 0.00 C ATOM 464 CD PRO A 34 3.003 -7.572 6.621 1.00 0.00 C ATOM 0 HA PRO A 34 5.502 -7.641 8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.201 -8.188 6.131 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.465 -9.366 7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.262 -7.938 4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.707 -9.396 5.707 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.626 -6.756 6.004 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.147 -8.191 6.889 1.00 0.00 H new ATOM 472 N GLU A 35 6.943 -5.809 8.253 1.00 0.00 N ATOM 473 CA GLU A 35 7.769 -4.627 8.074 1.00 0.00 C ATOM 474 C GLU A 35 8.643 -4.773 6.826 1.00 0.00 C ATOM 475 O GLU A 35 9.003 -3.780 6.196 1.00 0.00 O ATOM 476 CB GLU A 35 8.625 -4.364 9.315 1.00 0.00 C ATOM 477 CG GLU A 35 9.418 -5.612 9.708 1.00 0.00 C ATOM 478 CD GLU A 35 8.978 -6.131 11.079 1.00 0.00 C ATOM 479 OE1 GLU A 35 7.800 -6.538 11.180 1.00 0.00 O ATOM 480 OE2 GLU A 35 9.829 -6.110 11.994 1.00 0.00 O ATOM 0 H GLU A 35 7.244 -6.431 9.003 1.00 0.00 H new ATOM 0 HA GLU A 35 7.113 -3.767 7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.311 -3.539 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.986 -4.059 10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.275 -6.390 8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.483 -5.380 9.727 1.00 0.00 H new ATOM 487 N ASP A 36 8.958 -6.020 6.507 1.00 0.00 N ATOM 488 CA ASP A 36 9.783 -6.309 5.346 1.00 0.00 C ATOM 489 C ASP A 36 8.989 -6.004 4.074 1.00 0.00 C ATOM 490 O ASP A 36 9.553 -5.966 2.981 1.00 0.00 O ATOM 491 CB ASP A 36 10.185 -7.785 5.309 1.00 0.00 C ATOM 492 CG ASP A 36 9.042 -8.772 5.554 1.00 0.00 C ATOM 493 OD1 ASP A 36 8.043 -8.680 4.809 1.00 0.00 O ATOM 494 OD2 ASP A 36 9.194 -9.598 6.481 1.00 0.00 O ATOM 0 H ASP A 36 8.657 -6.841 7.032 1.00 0.00 H new ATOM 0 HA ASP A 36 10.680 -5.692 5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.630 -8.001 4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.958 -7.954 6.058 1.00 0.00 H new ATOM 499 N LEU A 37 7.694 -5.793 4.258 1.00 0.00 N ATOM 500 CA LEU A 37 6.818 -5.493 3.139 1.00 0.00 C ATOM 501 C LEU A 37 6.660 -3.976 3.014 1.00 0.00 C ATOM 502 O LEU A 37 7.038 -3.390 2.001 1.00 0.00 O ATOM 503 CB LEU A 37 5.491 -6.240 3.282 1.00 0.00 C ATOM 504 CG LEU A 37 5.431 -7.629 2.644 1.00 0.00 C ATOM 505 CD1 LEU A 37 3.989 -8.132 2.558 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.123 -7.636 1.279 1.00 0.00 C ATOM 0 H LEU A 37 7.230 -5.824 5.166 1.00 0.00 H new ATOM 0 HA LEU A 37 7.257 -5.847 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.266 -6.340 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.703 -5.627 2.845 1.00 0.00 H new ATOM 0 HG LEU A 37 5.976 -8.322 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.975 -9.121 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.563 -8.190 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.399 -7.444 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.066 -8.635 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.628 -6.926 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.168 -7.352 1.400 1.00 0.00 H new ATOM 518 N ARG A 38 6.099 -3.384 4.059 1.00 0.00 N ATOM 519 CA ARG A 38 5.886 -1.947 4.079 1.00 0.00 C ATOM 520 C ARG A 38 7.150 -1.216 3.622 1.00 0.00 C ATOM 521 O ARG A 38 7.099 -0.390 2.712 1.00 0.00 O ATOM 522 CB ARG A 38 5.506 -1.466 5.481 1.00 0.00 C ATOM 523 CG ARG A 38 6.584 -1.841 6.500 1.00 0.00 C ATOM 524 CD ARG A 38 6.028 -1.800 7.925 1.00 0.00 C ATOM 525 NE ARG A 38 7.135 -1.644 8.895 1.00 0.00 N ATOM 526 CZ ARG A 38 7.018 -1.867 10.211 1.00 0.00 C ATOM 527 NH1 ARG A 38 5.842 -2.257 10.722 1.00 0.00 N ATOM 528 NH2 ARG A 38 8.076 -1.700 11.016 1.00 0.00 N ATOM 0 H ARG A 38 5.786 -3.874 4.897 1.00 0.00 H new ATOM 0 HA ARG A 38 5.066 -1.724 3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.368 -0.385 5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.553 -1.907 5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.964 -2.839 6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.426 -1.154 6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.325 -0.973 8.026 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.475 -2.716 8.135 1.00 0.00 H new ATOM 0 HE ARG A 38 8.044 -1.348 8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.037 -2.384 10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.752 -2.427 11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.971 -1.403 10.627 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.986 -1.870 12.018 1.00 0.00 H new ATOM 542 N THR A 39 8.255 -1.547 4.274 1.00 0.00 N ATOM 543 CA THR A 39 9.530 -0.932 3.946 1.00 0.00 C ATOM 544 C THR A 39 9.742 -0.919 2.431 1.00 0.00 C ATOM 545 O THR A 39 10.443 -0.056 1.906 1.00 0.00 O ATOM 546 CB THR A 39 10.626 -1.683 4.705 1.00 0.00 C ATOM 547 OG1 THR A 39 10.344 -1.414 6.076 1.00 0.00 O ATOM 548 CG2 THR A 39 12.013 -1.076 4.484 1.00 0.00 C ATOM 0 H THR A 39 8.294 -2.233 5.028 1.00 0.00 H new ATOM 0 HA THR A 39 9.556 0.113 4.256 1.00 0.00 H new ATOM 0 HB THR A 39 10.633 -2.727 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.818 -2.150 6.452 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.753 -1.647 5.045 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.259 -1.107 3.423 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.016 -0.041 4.827 1.00 0.00 H new ATOM 556 N GLU A 40 9.122 -1.886 1.770 1.00 0.00 N ATOM 557 CA GLU A 40 9.233 -1.996 0.326 1.00 0.00 C ATOM 558 C GLU A 40 8.152 -1.154 -0.356 1.00 0.00 C ATOM 559 O GLU A 40 8.376 -0.604 -1.433 1.00 0.00 O ATOM 560 CB GLU A 40 9.152 -3.458 -0.121 1.00 0.00 C ATOM 561 CG GLU A 40 10.209 -3.766 -1.183 1.00 0.00 C ATOM 562 CD GLU A 40 10.034 -2.867 -2.408 1.00 0.00 C ATOM 563 OE1 GLU A 40 8.974 -2.996 -3.059 1.00 0.00 O ATOM 564 OE2 GLU A 40 10.962 -2.071 -2.667 1.00 0.00 O ATOM 0 H GLU A 40 8.541 -2.600 2.209 1.00 0.00 H new ATOM 0 HA GLU A 40 10.208 -1.612 0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.293 -4.113 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.159 -3.666 -0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.204 -3.624 -0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.136 -4.812 -1.482 1.00 0.00 H new ATOM 571 N LEU A 41 7.003 -1.081 0.300 1.00 0.00 N ATOM 572 CA LEU A 41 5.888 -0.315 -0.229 1.00 0.00 C ATOM 573 C LEU A 41 6.153 1.177 -0.019 1.00 0.00 C ATOM 574 O LEU A 41 6.090 1.961 -0.965 1.00 0.00 O ATOM 575 CB LEU A 41 4.570 -0.797 0.381 1.00 0.00 C ATOM 576 CG LEU A 41 3.611 -1.512 -0.573 1.00 0.00 C ATOM 577 CD1 LEU A 41 4.160 -2.881 -0.980 1.00 0.00 C ATOM 578 CD2 LEU A 41 2.209 -1.613 0.032 1.00 0.00 C ATOM 0 H LEU A 41 6.821 -1.540 1.193 1.00 0.00 H new ATOM 0 HA LEU A 41 5.793 -0.474 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.800 -1.471 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.053 0.063 0.806 1.00 0.00 H new ATOM 0 HG LEU A 41 3.527 -0.916 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.459 -3.367 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.120 -2.754 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.293 -3.498 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.547 -2.125 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.255 -2.174 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.824 -0.612 0.228 1.00 0.00 H new ATOM 590 N MET A 42 6.445 1.524 1.226 1.00 0.00 N ATOM 591 CA MET A 42 6.720 2.908 1.572 1.00 0.00 C ATOM 592 C MET A 42 7.706 3.535 0.584 1.00 0.00 C ATOM 593 O MET A 42 7.628 4.728 0.296 1.00 0.00 O ATOM 594 CB MET A 42 7.302 2.975 2.985 1.00 0.00 C ATOM 595 CG MET A 42 6.347 2.345 4.001 1.00 0.00 C ATOM 596 SD MET A 42 4.703 3.009 3.788 1.00 0.00 S ATOM 597 CE MET A 42 3.769 1.493 3.671 1.00 0.00 C ATOM 0 H MET A 42 6.497 0.871 2.007 1.00 0.00 H new ATOM 0 HA MET A 42 5.785 3.466 1.527 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.261 2.457 3.012 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.493 4.014 3.255 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.330 1.263 3.874 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.699 2.542 5.014 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.808 1.618 4.171 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.603 1.248 2.622 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.324 0.686 4.149 1.00 0.00 H new ATOM 607 N GLN A 43 8.610 2.701 0.091 1.00 0.00 N ATOM 608 CA GLN A 43 9.610 3.159 -0.859 1.00 0.00 C ATOM 609 C GLN A 43 9.079 3.038 -2.289 1.00 0.00 C ATOM 610 O GLN A 43 9.303 3.921 -3.115 1.00 0.00 O ATOM 611 CB GLN A 43 10.919 2.384 -0.693 1.00 0.00 C ATOM 612 CG GLN A 43 11.564 2.681 0.663 1.00 0.00 C ATOM 613 CD GLN A 43 12.429 3.941 0.594 1.00 0.00 C ATOM 614 OE1 GLN A 43 13.438 3.996 -0.089 1.00 0.00 O ATOM 615 NE2 GLN A 43 11.979 4.947 1.339 1.00 0.00 N ATOM 0 H GLN A 43 8.671 1.712 0.331 1.00 0.00 H new ATOM 0 HA GLN A 43 9.820 4.210 -0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.727 1.315 -0.782 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.608 2.651 -1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.789 2.809 1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.174 1.833 0.973 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.127 4.834 1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.486 5.832 1.362 1.00 0.00 H new ATOM 624 N THR A 44 8.386 1.936 -2.537 1.00 0.00 N ATOM 625 CA THR A 44 7.821 1.688 -3.852 1.00 0.00 C ATOM 626 C THR A 44 6.768 2.746 -4.189 1.00 0.00 C ATOM 627 O THR A 44 6.890 3.452 -5.189 1.00 0.00 O ATOM 628 CB THR A 44 7.273 0.259 -3.870 1.00 0.00 C ATOM 629 OG1 THR A 44 8.439 -0.559 -3.822 1.00 0.00 O ATOM 630 CG2 THR A 44 6.620 -0.101 -5.206 1.00 0.00 C ATOM 0 H THR A 44 8.203 1.205 -1.849 1.00 0.00 H new ATOM 0 HA THR A 44 8.580 1.771 -4.630 1.00 0.00 H new ATOM 0 HB THR A 44 6.546 0.138 -3.067 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.342 -1.226 -3.110 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.248 -1.125 -5.165 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.790 0.579 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.356 -0.014 -6.006 1.00 0.00 H new ATOM 638 N LEU A 45 5.758 2.822 -3.335 1.00 0.00 N ATOM 639 CA LEU A 45 4.684 3.782 -3.530 1.00 0.00 C ATOM 640 C LEU A 45 5.258 5.199 -3.478 1.00 0.00 C ATOM 641 O LEU A 45 4.848 6.067 -4.248 1.00 0.00 O ATOM 642 CB LEU A 45 3.558 3.538 -2.523 1.00 0.00 C ATOM 643 CG LEU A 45 3.144 2.079 -2.321 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.953 1.974 -1.367 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.865 1.398 -3.662 1.00 0.00 C ATOM 0 H LEU A 45 5.660 2.235 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 45 4.233 3.655 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.865 3.945 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.682 4.103 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 45 3.976 1.549 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.679 0.927 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.223 2.397 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.107 2.523 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.573 0.362 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.059 1.922 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.764 1.424 -4.277 1.00 0.00 H new ATOM 657 N GLY A 46 6.198 5.390 -2.564 1.00 0.00 N ATOM 658 CA GLY A 46 6.832 6.688 -2.403 1.00 0.00 C ATOM 659 C GLY A 46 7.264 7.259 -3.755 1.00 0.00 C ATOM 660 O GLY A 46 7.391 8.473 -3.908 1.00 0.00 O ATOM 0 H GLY A 46 6.536 4.668 -1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.140 7.377 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.700 6.594 -1.750 1.00 0.00 H new ATOM 664 N SER A 47 7.477 6.357 -4.702 1.00 0.00 N ATOM 665 CA SER A 47 7.891 6.756 -6.036 1.00 0.00 C ATOM 666 C SER A 47 6.721 7.409 -6.774 1.00 0.00 C ATOM 667 O SER A 47 6.779 8.588 -7.119 1.00 0.00 O ATOM 668 CB SER A 47 8.419 5.560 -6.830 1.00 0.00 C ATOM 669 OG SER A 47 9.716 5.805 -7.367 1.00 0.00 O ATOM 0 H SER A 47 7.371 5.351 -4.572 1.00 0.00 H new ATOM 0 HA SER A 47 8.701 7.479 -5.940 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.454 4.683 -6.184 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.728 5.330 -7.641 1.00 0.00 H new ATOM 0 HG SER A 47 10.018 5.017 -7.865 1.00 0.00 H new ATOM 675 N TYR A 48 5.685 6.613 -6.995 1.00 0.00 N ATOM 676 CA TYR A 48 4.502 7.098 -7.686 1.00 0.00 C ATOM 677 C TYR A 48 4.122 8.500 -7.205 1.00 0.00 C ATOM 678 O TYR A 48 3.739 9.352 -8.005 1.00 0.00 O ATOM 679 CB TYR A 48 3.376 6.126 -7.328 1.00 0.00 C ATOM 680 CG TYR A 48 3.351 4.859 -8.185 1.00 0.00 C ATOM 681 CD1 TYR A 48 2.677 4.854 -9.390 1.00 0.00 C ATOM 682 CD2 TYR A 48 4.003 3.722 -7.753 1.00 0.00 C ATOM 683 CE1 TYR A 48 2.654 3.661 -10.196 1.00 0.00 C ATOM 684 CE2 TYR A 48 3.979 2.529 -8.560 1.00 0.00 C ATOM 685 CZ TYR A 48 3.306 2.558 -9.741 1.00 0.00 C ATOM 686 OH TYR A 48 3.284 1.431 -10.503 1.00 0.00 O ATOM 0 H TYR A 48 5.640 5.635 -6.708 1.00 0.00 H new ATOM 0 HA TYR A 48 4.681 7.153 -8.760 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.475 5.842 -6.280 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.420 6.640 -7.430 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.167 5.744 -9.728 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.531 3.727 -6.811 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.131 3.643 -11.141 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.484 1.632 -8.234 1.00 0.00 H new ATOM 0 HH TYR A 48 3.792 0.723 -10.054 1.00 0.00 H new ATOM 696 N GLY A 49 4.243 8.696 -5.900 1.00 0.00 N ATOM 697 CA GLY A 49 3.917 9.980 -5.303 1.00 0.00 C ATOM 698 C GLY A 49 4.928 10.352 -4.217 1.00 0.00 C ATOM 699 O GLY A 49 6.113 10.525 -4.500 1.00 0.00 O ATOM 0 H GLY A 49 4.562 7.987 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.905 10.751 -6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.915 9.942 -4.875 1.00 0.00 H new ATOM 703 N THR A 50 4.424 10.463 -2.997 1.00 0.00 N ATOM 704 CA THR A 50 5.269 10.812 -1.867 1.00 0.00 C ATOM 705 C THR A 50 4.566 10.471 -0.551 1.00 0.00 C ATOM 706 O THR A 50 3.428 10.880 -0.327 1.00 0.00 O ATOM 707 CB THR A 50 5.640 12.291 -1.992 1.00 0.00 C ATOM 708 OG1 THR A 50 6.989 12.272 -2.451 1.00 0.00 O ATOM 709 CG2 THR A 50 5.718 12.992 -0.635 1.00 0.00 C ATOM 0 H THR A 50 3.441 10.318 -2.766 1.00 0.00 H new ATOM 0 HA THR A 50 6.191 10.230 -1.868 1.00 0.00 H new ATOM 0 HB THR A 50 4.907 12.797 -2.620 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.055 11.708 -3.249 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.985 14.039 -0.781 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.750 12.930 -0.137 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.475 12.508 -0.018 1.00 0.00 H new ATOM 717 N ILE A 51 5.274 9.725 0.285 1.00 0.00 N ATOM 718 CA ILE A 51 4.733 9.325 1.572 1.00 0.00 C ATOM 719 C ILE A 51 4.833 10.498 2.549 1.00 0.00 C ATOM 720 O ILE A 51 5.898 10.757 3.108 1.00 0.00 O ATOM 721 CB ILE A 51 5.419 8.051 2.069 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.242 6.907 1.068 1.00 0.00 C ATOM 723 CG2 ILE A 51 4.926 7.672 3.467 1.00 0.00 C ATOM 724 CD1 ILE A 51 3.785 6.444 1.017 1.00 0.00 C ATOM 0 H ILE A 51 6.218 9.387 0.095 1.00 0.00 H new ATOM 0 HA ILE A 51 3.676 9.075 1.480 1.00 0.00 H new ATOM 0 HB ILE A 51 6.488 8.247 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.558 7.234 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.883 6.071 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.429 6.763 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.147 8.482 4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.850 7.501 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.687 5.631 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.479 6.095 2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.149 7.276 0.713 1.00 0.00 H new ATOM 736 N VAL A 52 3.708 11.176 2.726 1.00 0.00 N ATOM 737 CA VAL A 52 3.655 12.316 3.626 1.00 0.00 C ATOM 738 C VAL A 52 3.471 11.818 5.062 1.00 0.00 C ATOM 739 O VAL A 52 3.855 12.498 6.012 1.00 0.00 O ATOM 740 CB VAL A 52 2.556 13.283 3.183 1.00 0.00 C ATOM 741 CG1 VAL A 52 2.667 13.590 1.688 1.00 0.00 C ATOM 742 CG2 VAL A 52 1.170 12.733 3.528 1.00 0.00 C ATOM 0 H VAL A 52 2.826 10.958 2.262 1.00 0.00 H new ATOM 0 HA VAL A 52 4.591 12.873 3.592 1.00 0.00 H new ATOM 0 HB VAL A 52 2.691 14.217 3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.874 14.280 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.636 14.044 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.570 12.666 1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.407 13.440 3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.021 11.779 3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.094 12.588 4.606 1.00 0.00 H new ATOM 752 N LEU A 53 2.883 10.636 5.173 1.00 0.00 N ATOM 753 CA LEU A 53 2.643 10.040 6.476 1.00 0.00 C ATOM 754 C LEU A 53 2.119 8.615 6.291 1.00 0.00 C ATOM 755 O LEU A 53 1.326 8.353 5.388 1.00 0.00 O ATOM 756 CB LEU A 53 1.720 10.931 7.311 1.00 0.00 C ATOM 757 CG LEU A 53 2.293 11.431 8.639 1.00 0.00 C ATOM 758 CD1 LEU A 53 1.381 12.488 9.266 1.00 0.00 C ATOM 759 CD2 LEU A 53 2.561 10.266 9.594 1.00 0.00 C ATOM 0 H LEU A 53 2.566 10.075 4.382 1.00 0.00 H new ATOM 0 HA LEU A 53 3.573 9.968 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.441 11.796 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.804 10.378 7.518 1.00 0.00 H new ATOM 0 HG LEU A 53 3.251 11.910 8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.811 12.827 10.209 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.284 13.335 8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.397 12.057 9.450 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.968 10.649 10.530 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.629 9.737 9.793 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.277 9.581 9.140 1.00 0.00 H new ATOM 771 N VAL A 54 2.583 7.730 7.162 1.00 0.00 N ATOM 772 CA VAL A 54 2.171 6.338 7.106 1.00 0.00 C ATOM 773 C VAL A 54 1.828 5.855 8.516 1.00 0.00 C ATOM 774 O VAL A 54 2.447 6.282 9.490 1.00 0.00 O ATOM 775 CB VAL A 54 3.258 5.497 6.433 1.00 0.00 C ATOM 776 CG1 VAL A 54 4.514 5.426 7.305 1.00 0.00 C ATOM 777 CG2 VAL A 54 2.741 4.096 6.102 1.00 0.00 C ATOM 0 H VAL A 54 3.240 7.950 7.910 1.00 0.00 H new ATOM 0 HA VAL A 54 1.273 6.230 6.498 1.00 0.00 H new ATOM 0 HB VAL A 54 3.527 5.985 5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.271 4.823 6.804 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.901 6.432 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.266 4.973 8.265 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.533 3.519 5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.431 3.596 7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.890 4.173 5.425 1.00 0.00 H new ATOM 787 N ARG A 55 0.843 4.971 8.582 1.00 0.00 N ATOM 788 CA ARG A 55 0.411 4.425 9.857 1.00 0.00 C ATOM 789 C ARG A 55 0.039 2.949 9.704 1.00 0.00 C ATOM 790 O ARG A 55 -0.652 2.574 8.758 1.00 0.00 O ATOM 791 CB ARG A 55 -0.793 5.193 10.405 1.00 0.00 C ATOM 792 CG ARG A 55 -0.914 5.015 11.920 1.00 0.00 C ATOM 793 CD ARG A 55 -2.346 4.651 12.317 1.00 0.00 C ATOM 794 NE ARG A 55 -3.075 5.863 12.753 1.00 0.00 N ATOM 795 CZ ARG A 55 -4.250 5.842 13.397 1.00 0.00 C ATOM 796 NH1 ARG A 55 -4.836 4.672 13.683 1.00 0.00 N ATOM 797 NH2 ARG A 55 -4.838 6.991 13.754 1.00 0.00 N ATOM 0 H ARG A 55 0.332 4.619 7.772 1.00 0.00 H new ATOM 0 HA ARG A 55 1.240 4.523 10.558 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.693 6.252 10.167 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.704 4.842 9.920 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.231 4.234 12.254 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.616 5.935 12.423 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.860 4.191 11.473 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.333 3.915 13.121 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.657 6.771 12.551 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.388 3.797 13.411 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.730 4.656 14.173 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.392 7.882 13.536 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.732 6.975 14.244 1.00 0.00 H new ATOM 811 N ILE A 56 0.515 2.151 10.649 1.00 0.00 N ATOM 812 CA ILE A 56 0.241 0.724 10.631 1.00 0.00 C ATOM 813 C ILE A 56 -1.018 0.440 11.453 1.00 0.00 C ATOM 814 O ILE A 56 -1.084 0.783 12.632 1.00 0.00 O ATOM 815 CB ILE A 56 1.468 -0.063 11.094 1.00 0.00 C ATOM 816 CG1 ILE A 56 2.291 -0.550 9.900 1.00 0.00 C ATOM 817 CG2 ILE A 56 1.065 -1.214 12.019 1.00 0.00 C ATOM 818 CD1 ILE A 56 1.655 -1.787 9.263 1.00 0.00 C ATOM 0 H ILE A 56 1.088 2.466 11.432 1.00 0.00 H new ATOM 0 HA ILE A 56 0.040 0.388 9.614 1.00 0.00 H new ATOM 0 HB ILE A 56 2.104 0.607 11.672 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.369 0.246 9.159 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.305 -0.784 10.224 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.956 -1.757 12.333 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.555 -0.815 12.896 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.396 -1.891 11.487 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.260 -2.112 8.417 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.601 -2.588 10.000 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.650 -1.543 8.918 1.00 0.00 H new ATOM 830 N ASN A 57 -1.986 -0.183 10.797 1.00 0.00 N ATOM 831 CA ASN A 57 -3.240 -0.517 11.452 1.00 0.00 C ATOM 832 C ASN A 57 -3.149 -1.932 12.027 1.00 0.00 C ATOM 833 O ASN A 57 -2.567 -2.821 11.407 1.00 0.00 O ATOM 834 CB ASN A 57 -4.405 -0.482 10.462 1.00 0.00 C ATOM 835 CG ASN A 57 -5.476 0.514 10.911 1.00 0.00 C ATOM 836 OD1 ASN A 57 -5.212 1.473 11.617 1.00 0.00 O ATOM 837 ND2 ASN A 57 -6.697 0.234 10.463 1.00 0.00 N ATOM 0 H ASN A 57 -1.927 -0.465 9.819 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.415 0.216 12.240 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.039 -0.206 9.473 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.842 -1.477 10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.481 0.839 10.707 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.849 -0.586 9.875 1.00 0.00 H new ATOM 844 N GLN A 58 -3.733 -2.097 13.204 1.00 0.00 N ATOM 845 CA GLN A 58 -3.726 -3.389 13.869 1.00 0.00 C ATOM 846 C GLN A 58 -3.614 -4.515 12.839 1.00 0.00 C ATOM 847 O GLN A 58 -2.813 -5.434 13.004 1.00 0.00 O ATOM 848 CB GLN A 58 -4.971 -3.564 14.740 1.00 0.00 C ATOM 849 CG GLN A 58 -4.708 -3.097 16.173 1.00 0.00 C ATOM 850 CD GLN A 58 -4.179 -4.245 17.036 1.00 0.00 C ATOM 851 OE1 GLN A 58 -3.041 -4.670 16.921 1.00 0.00 O ATOM 852 NE2 GLN A 58 -5.067 -4.722 17.904 1.00 0.00 N ATOM 0 H GLN A 58 -4.215 -1.357 13.715 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.856 -3.434 14.524 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.799 -2.997 14.315 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.272 -4.612 14.745 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.986 -2.280 16.166 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.628 -2.706 16.606 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.003 -4.320 17.948 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.811 -5.490 18.525 1.00 0.00 H new ATOM 861 N GLY A 59 -4.428 -4.406 11.800 1.00 0.00 N ATOM 862 CA GLY A 59 -4.430 -5.404 10.744 1.00 0.00 C ATOM 863 C GLY A 59 -4.611 -4.750 9.372 1.00 0.00 C ATOM 864 O GLY A 59 -5.430 -5.197 8.570 1.00 0.00 O ATOM 0 H GLY A 59 -5.091 -3.642 11.667 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.494 -5.962 10.764 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.232 -6.121 10.918 1.00 0.00 H new ATOM 868 N GLN A 60 -3.833 -3.702 9.145 1.00 0.00 N ATOM 869 CA GLN A 60 -3.897 -2.982 7.884 1.00 0.00 C ATOM 870 C GLN A 60 -2.743 -1.983 7.784 1.00 0.00 C ATOM 871 O GLN A 60 -1.938 -1.864 8.707 1.00 0.00 O ATOM 872 CB GLN A 60 -5.246 -2.279 7.722 1.00 0.00 C ATOM 873 CG GLN A 60 -6.146 -3.036 6.744 1.00 0.00 C ATOM 874 CD GLN A 60 -7.576 -3.135 7.278 1.00 0.00 C ATOM 875 OE1 GLN A 60 -7.900 -3.966 8.110 1.00 0.00 O ATOM 876 NE2 GLN A 60 -8.412 -2.243 6.754 1.00 0.00 N ATOM 0 H GLN A 60 -3.155 -3.334 9.813 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.800 -3.702 7.072 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.739 -2.203 8.691 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.089 -1.262 7.364 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.149 -2.528 5.779 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.747 -4.036 6.577 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.076 -1.574 6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.389 -2.228 7.045 1.00 0.00 H new ATOM 885 N MET A 61 -2.698 -1.290 6.656 1.00 0.00 N ATOM 886 CA MET A 61 -1.655 -0.305 6.424 1.00 0.00 C ATOM 887 C MET A 61 -2.240 0.987 5.847 1.00 0.00 C ATOM 888 O MET A 61 -2.647 1.024 4.688 1.00 0.00 O ATOM 889 CB MET A 61 -0.621 -0.875 5.452 1.00 0.00 C ATOM 890 CG MET A 61 0.802 -0.629 5.958 1.00 0.00 C ATOM 891 SD MET A 61 1.026 1.102 6.330 1.00 0.00 S ATOM 892 CE MET A 61 2.729 1.087 6.864 1.00 0.00 C ATOM 0 H MET A 61 -3.367 -1.391 5.893 1.00 0.00 H new ATOM 0 HA MET A 61 -1.181 -0.074 7.378 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.786 -1.945 5.326 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.747 -0.416 4.471 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.989 -1.228 6.849 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.524 -0.944 5.205 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.800 1.511 7.866 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.097 0.061 6.877 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.331 1.680 6.176 1.00 0.00 H new ATOM 902 N LEU A 62 -2.262 2.014 6.684 1.00 0.00 N ATOM 903 CA LEU A 62 -2.789 3.303 6.273 1.00 0.00 C ATOM 904 C LEU A 62 -1.645 4.175 5.751 1.00 0.00 C ATOM 905 O LEU A 62 -0.918 4.785 6.534 1.00 0.00 O ATOM 906 CB LEU A 62 -3.582 3.947 7.412 1.00 0.00 C ATOM 907 CG LEU A 62 -5.065 3.579 7.489 1.00 0.00 C ATOM 908 CD1 LEU A 62 -5.345 2.676 8.692 1.00 0.00 C ATOM 909 CD2 LEU A 62 -5.941 4.833 7.497 1.00 0.00 C ATOM 0 H LEU A 62 -1.923 1.979 7.645 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.497 3.180 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.111 3.674 8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.501 5.030 7.317 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.323 3.012 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.406 2.430 8.723 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.762 1.759 8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.066 3.195 9.609 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.990 4.543 7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.688 5.448 8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.769 5.403 6.584 1.00 0.00 H new ATOM 921 N VAL A 63 -1.520 4.205 4.433 1.00 0.00 N ATOM 922 CA VAL A 63 -0.477 4.992 3.798 1.00 0.00 C ATOM 923 C VAL A 63 -1.082 6.284 3.245 1.00 0.00 C ATOM 924 O VAL A 63 -2.085 6.249 2.534 1.00 0.00 O ATOM 925 CB VAL A 63 0.229 4.157 2.727 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.492 4.862 2.227 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.554 2.756 3.249 1.00 0.00 C ATOM 0 H VAL A 63 -2.124 3.697 3.787 1.00 0.00 H new ATOM 0 HA VAL A 63 0.283 5.275 4.526 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.452 4.050 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.975 4.248 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.224 5.827 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.178 5.014 3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.055 2.184 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.208 2.834 4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.369 2.251 3.533 1.00 0.00 H new ATOM 937 N THR A 64 -0.448 7.393 3.595 1.00 0.00 N ATOM 938 CA THR A 64 -0.912 8.694 3.143 1.00 0.00 C ATOM 939 C THR A 64 0.044 9.267 2.095 1.00 0.00 C ATOM 940 O THR A 64 1.247 9.015 2.143 1.00 0.00 O ATOM 941 CB THR A 64 -1.074 9.591 4.372 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.835 8.801 5.281 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.964 10.805 4.098 1.00 0.00 C ATOM 0 H THR A 64 0.383 7.418 4.186 1.00 0.00 H new ATOM 0 HA THR A 64 -1.880 8.618 2.647 1.00 0.00 H new ATOM 0 HB THR A 64 -0.093 9.928 4.706 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.985 9.306 6.107 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.046 11.408 5.002 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.526 11.405 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.956 10.468 3.796 1.00 0.00 H new ATOM 951 N PHE A 65 -0.527 10.026 1.171 1.00 0.00 N ATOM 952 CA PHE A 65 0.260 10.637 0.113 1.00 0.00 C ATOM 953 C PHE A 65 0.104 12.159 0.122 1.00 0.00 C ATOM 954 O PHE A 65 -0.598 12.709 0.969 1.00 0.00 O ATOM 955 CB PHE A 65 -0.273 10.089 -1.213 1.00 0.00 C ATOM 956 CG PHE A 65 0.094 8.628 -1.475 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.391 8.281 -1.693 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.876 7.675 -1.491 1.00 0.00 C ATOM 959 CE1 PHE A 65 1.732 6.924 -1.936 1.00 0.00 C ATOM 960 CE2 PHE A 65 -0.535 6.318 -1.735 1.00 0.00 C ATOM 961 CZ PHE A 65 0.761 5.971 -1.952 1.00 0.00 C ATOM 0 H PHE A 65 -1.525 10.232 1.133 1.00 0.00 H new ATOM 0 HA PHE A 65 1.316 10.407 0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.358 10.188 -1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.112 10.701 -2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.162 9.038 -1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.906 7.950 -1.318 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.762 6.648 -2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.306 5.562 -1.748 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.020 4.939 -2.137 1.00 0.00 H new ATOM 971 N ALA A 66 0.771 12.796 -0.829 1.00 0.00 N ATOM 972 CA ALA A 66 0.716 14.243 -0.941 1.00 0.00 C ATOM 973 C ALA A 66 -0.380 14.632 -1.936 1.00 0.00 C ATOM 974 O ALA A 66 -1.151 15.557 -1.686 1.00 0.00 O ATOM 975 CB ALA A 66 2.090 14.777 -1.349 1.00 0.00 C ATOM 0 H ALA A 66 1.353 12.336 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 66 0.464 14.693 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.048 15.863 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.827 14.499 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.376 14.350 -2.310 1.00 0.00 H new ATOM 981 N ASP A 67 -0.413 13.906 -3.044 1.00 0.00 N ATOM 982 CA ASP A 67 -1.402 14.163 -4.077 1.00 0.00 C ATOM 983 C ASP A 67 -2.473 13.071 -4.036 1.00 0.00 C ATOM 984 O ASP A 67 -2.260 12.010 -3.451 1.00 0.00 O ATOM 985 CB ASP A 67 -0.762 14.145 -5.467 1.00 0.00 C ATOM 986 CG ASP A 67 0.367 15.157 -5.672 1.00 0.00 C ATOM 987 OD1 ASP A 67 0.111 16.353 -5.416 1.00 0.00 O ATOM 988 OD2 ASP A 67 1.461 14.711 -6.081 1.00 0.00 O ATOM 0 H ASP A 67 0.229 13.140 -3.249 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.836 15.145 -3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.373 13.145 -5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.537 14.333 -6.210 1.00 0.00 H new ATOM 993 N SER A 68 -3.600 13.369 -4.664 1.00 0.00 N ATOM 994 CA SER A 68 -4.705 12.426 -4.707 1.00 0.00 C ATOM 995 C SER A 68 -4.528 11.465 -5.884 1.00 0.00 C ATOM 996 O SER A 68 -4.463 10.251 -5.694 1.00 0.00 O ATOM 997 CB SER A 68 -6.047 13.154 -4.814 1.00 0.00 C ATOM 998 OG SER A 68 -6.188 13.832 -6.059 1.00 0.00 O ATOM 0 H SER A 68 -3.772 14.250 -5.148 1.00 0.00 H new ATOM 0 HA SER A 68 -4.704 11.856 -3.778 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.859 12.436 -4.698 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.136 13.871 -3.998 1.00 0.00 H new ATOM 0 HG SER A 68 -7.058 14.283 -6.089 1.00 0.00 H new ATOM 1004 N HIS A 69 -4.454 12.043 -7.073 1.00 0.00 N ATOM 1005 CA HIS A 69 -4.285 11.253 -8.281 1.00 0.00 C ATOM 1006 C HIS A 69 -3.185 10.212 -8.063 1.00 0.00 C ATOM 1007 O HIS A 69 -3.345 9.049 -8.427 1.00 0.00 O ATOM 1008 CB HIS A 69 -4.019 12.154 -9.488 1.00 0.00 C ATOM 1009 CG HIS A 69 -2.944 13.189 -9.256 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -3.225 14.492 -8.885 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -1.586 13.099 -9.346 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -2.080 15.148 -8.760 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -1.066 14.283 -9.047 1.00 0.00 N ATOM 0 H HIS A 69 -4.508 13.050 -7.226 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.208 10.716 -8.500 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.734 11.532 -10.337 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -4.944 12.661 -9.761 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.028 12.214 -9.615 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.970 16.185 -8.480 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -0.071 14.509 -9.034 1.00 0.00 H new ATOM 1021 N SER A 70 -2.091 10.670 -7.471 1.00 0.00 N ATOM 1022 CA SER A 70 -0.964 9.793 -7.201 1.00 0.00 C ATOM 1023 C SER A 70 -1.460 8.469 -6.616 1.00 0.00 C ATOM 1024 O SER A 70 -0.976 7.402 -6.990 1.00 0.00 O ATOM 1025 CB SER A 70 0.032 10.455 -6.247 1.00 0.00 C ATOM 1026 OG SER A 70 0.787 11.479 -6.889 1.00 0.00 O ATOM 0 H SER A 70 -1.961 11.636 -7.171 1.00 0.00 H new ATOM 0 HA SER A 70 -0.449 9.597 -8.142 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.506 10.879 -5.399 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.710 9.700 -5.850 1.00 0.00 H new ATOM 0 HG SER A 70 1.410 11.878 -6.246 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.418 8.581 -5.708 1.00 0.00 N ATOM 1033 CA ALA A 71 -2.984 7.406 -5.068 1.00 0.00 C ATOM 1034 C ALA A 71 -3.876 6.666 -6.067 1.00 0.00 C ATOM 1035 O ALA A 71 -3.788 5.446 -6.198 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.744 7.827 -3.808 1.00 0.00 C ATOM 0 H ALA A 71 -2.817 9.468 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.195 6.720 -4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.169 6.946 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.060 8.322 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.546 8.514 -4.079 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.714 7.436 -6.746 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.620 6.868 -7.730 1.00 0.00 C ATOM 1044 C LEU A 72 -4.879 5.812 -8.551 1.00 0.00 C ATOM 1045 O LEU A 72 -5.382 4.706 -8.745 1.00 0.00 O ATOM 1046 CB LEU A 72 -6.252 7.974 -8.577 1.00 0.00 C ATOM 1047 CG LEU A 72 -5.687 8.143 -9.989 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -6.172 7.022 -10.911 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -6.015 9.528 -10.549 1.00 0.00 C ATOM 0 H LEU A 72 -4.785 8.447 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.450 6.362 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.321 7.778 -8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.140 8.920 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.601 8.068 -9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.756 7.166 -11.908 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.845 6.060 -10.517 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.260 7.041 -10.966 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.602 9.622 -11.553 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.097 9.658 -10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.581 10.293 -9.905 1.00 0.00 H new ATOM 1061 N SER A 73 -3.695 6.189 -9.011 1.00 0.00 N ATOM 1062 CA SER A 73 -2.880 5.288 -9.807 1.00 0.00 C ATOM 1063 C SER A 73 -2.396 4.120 -8.944 1.00 0.00 C ATOM 1064 O SER A 73 -2.471 2.965 -9.359 1.00 0.00 O ATOM 1065 CB SER A 73 -1.687 6.022 -10.423 1.00 0.00 C ATOM 1066 OG SER A 73 -1.885 6.293 -11.808 1.00 0.00 O ATOM 0 H SER A 73 -3.281 7.107 -8.847 1.00 0.00 H new ATOM 0 HA SER A 73 -3.494 4.901 -10.621 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.523 6.959 -9.890 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.787 5.421 -10.296 1.00 0.00 H new ATOM 0 HG SER A 73 -1.103 6.764 -12.164 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.910 4.463 -7.760 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.414 3.458 -6.835 1.00 0.00 C ATOM 1074 C VAL A 74 -2.545 2.488 -6.487 1.00 0.00 C ATOM 1075 O VAL A 74 -2.294 1.341 -6.123 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.806 4.133 -5.605 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.377 3.096 -4.565 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.368 5.033 -5.997 1.00 0.00 C ATOM 0 H VAL A 74 -1.849 5.423 -7.420 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.617 2.875 -7.296 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.575 4.761 -5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.052 3.603 -3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.244 2.515 -4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.367 2.430 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.782 5.501 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.138 4.435 -6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.021 5.805 -6.683 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.767 2.986 -6.611 1.00 0.00 N ATOM 1089 CA LEU A 75 -4.938 2.178 -6.314 1.00 0.00 C ATOM 1090 C LEU A 75 -5.105 1.112 -7.399 1.00 0.00 C ATOM 1091 O LEU A 75 -5.341 -0.056 -7.095 1.00 0.00 O ATOM 1092 CB LEU A 75 -6.169 3.067 -6.130 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.197 3.922 -4.861 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -7.374 4.899 -4.884 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.205 3.043 -3.609 1.00 0.00 C ATOM 0 H LEU A 75 -3.971 3.939 -6.913 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.809 1.652 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.246 3.730 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.055 2.432 -6.136 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.285 4.518 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.371 5.494 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.283 5.558 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.308 4.342 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.225 3.675 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.088 2.403 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.308 2.424 -3.594 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.976 1.553 -8.642 1.00 0.00 N ATOM 1108 CA ASP A 76 -5.110 0.651 -9.773 1.00 0.00 C ATOM 1109 C ASP A 76 -3.821 -0.158 -9.930 1.00 0.00 C ATOM 1110 O ASP A 76 -3.865 -1.347 -10.244 1.00 0.00 O ATOM 1111 CB ASP A 76 -5.343 1.427 -11.071 1.00 0.00 C ATOM 1112 CG ASP A 76 -6.792 1.450 -11.560 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -7.332 0.346 -11.788 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -7.328 2.571 -11.695 1.00 0.00 O ATOM 0 H ASP A 76 -4.780 2.523 -8.890 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.962 -0.002 -9.585 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.008 2.454 -10.928 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.719 0.994 -11.852 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.704 0.518 -9.704 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.405 -0.123 -9.817 1.00 0.00 C ATOM 1121 C VAL A 77 -1.342 -1.309 -8.853 1.00 0.00 C ATOM 1122 O VAL A 77 -0.486 -2.182 -8.993 1.00 0.00 O ATOM 1123 CB VAL A 77 -0.294 0.901 -9.579 1.00 0.00 C ATOM 1124 CG1 VAL A 77 0.899 0.260 -8.867 1.00 0.00 C ATOM 1125 CG2 VAL A 77 0.139 1.556 -10.892 1.00 0.00 C ATOM 0 H VAL A 77 -2.672 1.504 -9.443 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.258 -0.514 -10.824 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.692 1.682 -8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.675 1.010 -8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.578 -0.137 -7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.296 -0.550 -9.479 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.930 2.280 -10.694 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.509 0.792 -11.575 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.713 2.064 -11.343 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.258 -1.303 -7.896 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.317 -2.367 -6.909 1.00 0.00 C ATOM 1137 C ASP A 78 -2.070 -3.711 -7.599 1.00 0.00 C ATOM 1138 O ASP A 78 -1.510 -4.627 -6.999 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.692 -2.424 -6.241 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.835 -2.878 -7.152 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -4.822 -2.461 -8.330 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.695 -3.633 -6.649 1.00 0.00 O ATOM 0 H ASP A 78 -2.966 -0.577 -7.783 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.557 -2.168 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.637 -3.100 -5.388 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.930 -1.435 -5.849 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.500 -3.785 -8.849 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.333 -5.001 -9.627 1.00 0.00 C ATOM 1149 C GLY A 79 -0.930 -5.581 -9.443 1.00 0.00 C ATOM 1150 O GLY A 79 -0.739 -6.793 -9.528 1.00 0.00 O ATOM 0 H GLY A 79 -2.964 -3.023 -9.343 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.077 -5.737 -9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.507 -4.789 -10.682 1.00 0.00 H new ATOM 1154 N MET A 80 0.017 -4.688 -9.194 1.00 0.00 N ATOM 1155 CA MET A 80 1.398 -5.096 -8.998 1.00 0.00 C ATOM 1156 C MET A 80 1.500 -6.190 -7.933 1.00 0.00 C ATOM 1157 O MET A 80 0.582 -6.371 -7.134 1.00 0.00 O ATOM 1158 CB MET A 80 2.231 -3.887 -8.569 1.00 0.00 C ATOM 1159 CG MET A 80 1.974 -3.535 -7.103 1.00 0.00 C ATOM 1160 SD MET A 80 2.196 -1.783 -6.847 1.00 0.00 S ATOM 1161 CE MET A 80 2.103 -1.715 -5.066 1.00 0.00 C ATOM 0 H MET A 80 -0.145 -3.683 -9.124 1.00 0.00 H new ATOM 0 HA MET A 80 1.777 -5.494 -9.939 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.290 -4.101 -8.715 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.988 -3.032 -9.200 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.962 -3.826 -6.823 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.656 -4.094 -6.462 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.599 -0.797 -4.763 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.543 -2.575 -4.698 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.110 -1.731 -4.648 1.00 0.00 H new ATOM 1171 N LYS A 81 2.624 -6.890 -7.955 1.00 0.00 N ATOM 1172 CA LYS A 81 2.858 -7.961 -7.002 1.00 0.00 C ATOM 1173 C LYS A 81 4.148 -7.678 -6.229 1.00 0.00 C ATOM 1174 O LYS A 81 5.171 -7.344 -6.824 1.00 0.00 O ATOM 1175 CB LYS A 81 2.849 -9.319 -7.707 1.00 0.00 C ATOM 1176 CG LYS A 81 1.423 -9.856 -7.846 1.00 0.00 C ATOM 1177 CD LYS A 81 1.171 -10.385 -9.260 1.00 0.00 C ATOM 1178 CE LYS A 81 0.128 -9.534 -9.986 1.00 0.00 C ATOM 1179 NZ LYS A 81 -0.273 -10.178 -11.257 1.00 0.00 N ATOM 0 H LYS A 81 3.383 -6.736 -8.618 1.00 0.00 H new ATOM 0 HA LYS A 81 2.050 -8.002 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.303 -9.224 -8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.455 -10.029 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.259 -10.653 -7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.709 -9.065 -7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.104 -10.383 -9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.831 -11.419 -9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.746 -9.398 -9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.534 -8.543 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.982 -9.587 -11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.560 -10.286 -11.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.680 -11.114 -11.058 1.00 0.00 H new ATOM 1193 N VAL A 82 4.057 -7.822 -4.915 1.00 0.00 N ATOM 1194 CA VAL A 82 5.204 -7.586 -4.055 1.00 0.00 C ATOM 1195 C VAL A 82 5.658 -8.912 -3.442 1.00 0.00 C ATOM 1196 O VAL A 82 4.890 -9.571 -2.742 1.00 0.00 O ATOM 1197 CB VAL A 82 4.862 -6.527 -3.005 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.376 -6.574 -2.644 1.00 0.00 C ATOM 1199 CG2 VAL A 82 5.735 -6.689 -1.759 1.00 0.00 C ATOM 0 H VAL A 82 3.206 -8.099 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 82 6.040 -7.192 -4.633 1.00 0.00 H new ATOM 0 HB VAL A 82 5.071 -5.548 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.159 -5.812 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.779 -6.387 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.130 -7.557 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.472 -5.924 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.572 -7.676 -1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.784 -6.583 -2.034 1.00 0.00 H new ATOM 1209 N LYS A 83 6.903 -9.264 -3.726 1.00 0.00 N ATOM 1210 CA LYS A 83 7.468 -10.500 -3.211 1.00 0.00 C ATOM 1211 C LYS A 83 6.594 -11.677 -3.649 1.00 0.00 C ATOM 1212 O LYS A 83 6.340 -12.591 -2.867 1.00 0.00 O ATOM 1213 CB LYS A 83 7.662 -10.409 -1.696 1.00 0.00 C ATOM 1214 CG LYS A 83 9.089 -9.977 -1.351 1.00 0.00 C ATOM 1215 CD LYS A 83 9.120 -8.525 -0.868 1.00 0.00 C ATOM 1216 CE LYS A 83 10.174 -8.334 0.225 1.00 0.00 C ATOM 1217 NZ LYS A 83 11.422 -7.783 -0.349 1.00 0.00 N ATOM 0 H LYS A 83 7.537 -8.715 -4.306 1.00 0.00 H new ATOM 0 HA LYS A 83 8.461 -10.668 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.951 -9.697 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.451 -11.376 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.494 -10.630 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.728 -10.086 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.336 -7.863 -1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.139 -8.244 -0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.792 -7.661 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.380 -9.288 0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.126 -7.660 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.794 -8.439 -1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.224 -6.863 -0.791 1.00 0.00 H new ATOM 1231 N GLY A 84 6.158 -11.615 -4.899 1.00 0.00 N ATOM 1232 CA GLY A 84 5.319 -12.664 -5.451 1.00 0.00 C ATOM 1233 C GLY A 84 3.961 -12.707 -4.748 1.00 0.00 C ATOM 1234 O GLY A 84 3.187 -13.644 -4.940 1.00 0.00 O ATOM 0 H GLY A 84 6.370 -10.854 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.175 -12.495 -6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.818 -13.627 -5.345 1.00 0.00 H new ATOM 1238 N ARG A 85 3.712 -11.681 -3.947 1.00 0.00 N ATOM 1239 CA ARG A 85 2.461 -11.589 -3.214 1.00 0.00 C ATOM 1240 C ARG A 85 1.569 -10.504 -3.820 1.00 0.00 C ATOM 1241 O ARG A 85 2.023 -9.387 -4.064 1.00 0.00 O ATOM 1242 CB ARG A 85 2.710 -11.271 -1.738 1.00 0.00 C ATOM 1243 CG ARG A 85 2.263 -12.429 -0.844 1.00 0.00 C ATOM 1244 CD ARG A 85 1.997 -11.949 0.584 1.00 0.00 C ATOM 1245 NE ARG A 85 3.268 -11.886 1.341 1.00 0.00 N ATOM 1246 CZ ARG A 85 3.966 -12.963 1.726 1.00 0.00 C ATOM 1247 NH1 ARG A 85 3.523 -14.191 1.428 1.00 0.00 N ATOM 1248 NH2 ARG A 85 5.109 -12.810 2.410 1.00 0.00 N ATOM 0 H ARG A 85 4.356 -10.906 -3.790 1.00 0.00 H new ATOM 0 HA ARG A 85 1.962 -12.555 -3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.770 -11.073 -1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.171 -10.365 -1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.360 -12.881 -1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.031 -13.203 -0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.526 -10.966 0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.301 -12.626 1.080 1.00 0.00 H new ATOM 0 HE ARG A 85 3.635 -10.966 1.584 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.654 -14.307 0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.055 -15.010 1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.446 -11.874 2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.641 -13.629 2.704 1.00 0.00 H new ATOM 1262 N ALA A 86 0.316 -10.870 -4.045 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.644 -9.942 -4.617 1.00 0.00 C ATOM 1264 C ALA A 86 -1.060 -8.924 -3.553 1.00 0.00 C ATOM 1265 O ALA A 86 -1.509 -9.300 -2.471 1.00 0.00 O ATOM 1266 CB ALA A 86 -1.836 -10.720 -5.177 1.00 0.00 C ATOM 0 H ALA A 86 -0.057 -11.797 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.198 -9.390 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.556 -10.023 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.491 -11.407 -5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.311 -11.285 -4.375 1.00 0.00 H new ATOM 1272 N VAL A 87 -0.896 -7.655 -3.897 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.249 -6.581 -2.985 1.00 0.00 C ATOM 1274 C VAL A 87 -2.619 -6.019 -3.371 1.00 0.00 C ATOM 1275 O VAL A 87 -3.084 -6.224 -4.491 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.148 -5.518 -2.977 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.405 -5.291 -4.385 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -0.654 -4.209 -2.368 1.00 0.00 C ATOM 0 H VAL A 87 -0.523 -7.347 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.327 -6.957 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 87 0.667 -5.884 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.186 -4.531 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.822 -6.223 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.398 -4.957 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.148 -3.471 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.495 -3.837 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.976 -4.386 -1.342 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.226 -5.322 -2.422 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.533 -4.729 -2.649 1.00 0.00 C ATOM 1290 C LYS A 88 -4.596 -3.364 -1.961 1.00 0.00 C ATOM 1291 O LYS A 88 -4.693 -3.285 -0.738 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.640 -5.690 -2.211 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.927 -5.440 -3.000 1.00 0.00 C ATOM 1294 CD LYS A 88 -7.448 -6.735 -3.625 1.00 0.00 C ATOM 1295 CE LYS A 88 -7.609 -6.587 -5.139 1.00 0.00 C ATOM 1296 NZ LYS A 88 -6.363 -6.977 -5.835 1.00 0.00 N ATOM 0 H LYS A 88 -2.837 -5.155 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.694 -4.557 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.313 -6.719 -2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.833 -5.567 -1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.686 -5.019 -2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.741 -4.704 -3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.759 -7.551 -3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.406 -6.999 -3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.435 -7.208 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.862 -5.555 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.274 -6.434 -6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.546 -6.778 -5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.392 -7.993 -6.055 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.537 -2.322 -2.778 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.585 -0.964 -2.263 1.00 0.00 C ATOM 1312 C ILE A 89 -6.010 -0.423 -2.399 1.00 0.00 C ATOM 1313 O ILE A 89 -6.479 -0.171 -3.507 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.529 -0.094 -2.947 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.151 -0.755 -2.886 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.515 1.317 -2.357 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.437 -0.663 -4.236 1.00 0.00 C ATOM 0 H ILE A 89 -4.456 -2.391 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.337 -0.949 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.794 0.001 -4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.547 -0.273 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.258 -1.801 -2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.755 1.915 -2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.492 1.779 -2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.287 1.264 -1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.460 -1.141 -4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.032 -1.167 -4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.310 0.384 -4.510 1.00 0.00 H new ATOM 1329 N SER A 90 -6.658 -0.259 -1.255 1.00 0.00 N ATOM 1330 CA SER A 90 -8.019 0.248 -1.232 1.00 0.00 C ATOM 1331 C SER A 90 -8.083 1.541 -0.417 1.00 0.00 C ATOM 1332 O SER A 90 -7.071 1.991 0.120 1.00 0.00 O ATOM 1333 CB SER A 90 -8.984 -0.791 -0.655 1.00 0.00 C ATOM 1334 OG SER A 90 -10.174 -0.903 -1.432 1.00 0.00 O ATOM 0 H SER A 90 -6.265 -0.468 -0.337 1.00 0.00 H new ATOM 0 HA SER A 90 -8.323 0.457 -2.258 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.488 -1.761 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.243 -0.517 0.368 1.00 0.00 H new ATOM 0 HG SER A 90 -10.763 -1.577 -1.033 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.281 2.102 -0.349 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.489 3.335 0.391 1.00 0.00 C ATOM 1342 C GLY A 91 -9.697 3.052 1.880 1.00 0.00 C ATOM 1343 O GLY A 91 -9.321 1.989 2.372 1.00 0.00 O ATOM 0 H GLY A 91 -10.118 1.725 -0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.630 3.992 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.357 3.861 -0.008 1.00 0.00 H new ATOM 1347 N PRO A 92 -10.312 4.047 2.574 1.00 0.00 N ATOM 1348 CA PRO A 92 -10.574 3.915 3.997 1.00 0.00 C ATOM 1349 C PRO A 92 -11.747 2.966 4.253 1.00 0.00 C ATOM 1350 O PRO A 92 -12.155 2.224 3.360 1.00 0.00 O ATOM 1351 CB PRO A 92 -10.841 5.331 4.481 1.00 0.00 C ATOM 1352 CG PRO A 92 -11.175 6.140 3.238 1.00 0.00 C ATOM 1353 CD PRO A 92 -10.771 5.319 2.025 1.00 0.00 C ATOM 0 HA PRO A 92 -9.738 3.473 4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.666 5.351 5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.969 5.740 4.991 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.240 6.369 3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.645 7.092 3.248 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.611 5.177 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.982 5.813 1.457 1.00 0.00 H new ATOM 1361 N SER A 93 -12.255 3.020 5.475 1.00 0.00 N ATOM 1362 CA SER A 93 -13.372 2.174 5.859 1.00 0.00 C ATOM 1363 C SER A 93 -14.650 3.009 5.963 1.00 0.00 C ATOM 1364 O SER A 93 -14.618 4.141 6.443 1.00 0.00 O ATOM 1365 CB SER A 93 -13.094 1.462 7.185 1.00 0.00 C ATOM 1366 OG SER A 93 -12.815 2.382 8.236 1.00 0.00 O ATOM 0 H SER A 93 -11.914 3.637 6.212 1.00 0.00 H new ATOM 0 HA SER A 93 -13.504 1.413 5.090 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.955 0.852 7.456 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.249 0.784 7.063 1.00 0.00 H new ATOM 0 HG SER A 93 -12.645 1.889 9.066 1.00 0.00 H new ATOM 1372 N SER A 94 -15.744 2.419 5.506 1.00 0.00 N ATOM 1373 CA SER A 94 -17.030 3.095 5.542 1.00 0.00 C ATOM 1374 C SER A 94 -18.001 2.324 6.438 1.00 0.00 C ATOM 1375 O SER A 94 -17.879 1.110 6.591 1.00 0.00 O ATOM 1376 CB SER A 94 -17.611 3.246 4.135 1.00 0.00 C ATOM 1377 OG SER A 94 -17.998 1.993 3.579 1.00 0.00 O ATOM 0 H SER A 94 -15.767 1.480 5.109 1.00 0.00 H new ATOM 0 HA SER A 94 -16.881 4.093 5.954 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.475 3.910 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.872 3.717 3.487 1.00 0.00 H new ATOM 0 HG SER A 94 -18.365 2.133 2.681 1.00 0.00 H new ATOM 1383 N GLY A 95 -18.944 3.061 7.006 1.00 0.00 N ATOM 1384 CA GLY A 95 -19.936 2.462 7.882 1.00 0.00 C ATOM 1385 C GLY A 95 -20.593 3.521 8.771 1.00 0.00 C ATOM 1386 O GLY A 95 -20.806 4.653 8.340 1.00 0.00 O ATOM 0 H GLY A 95 -19.042 4.068 6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.697 1.960 7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.465 1.701 8.504 1.00 0.00 H new TER 1390 GLY A 95